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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38N2O9
Molecular Weight 534.5986
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIMYCIN A2B

SMILES

CCCCCC[C@@H]1[C@@H](OC(=O)CCC)[C@H](C)OC(=O)[C@@H](NC(=O)C2=CC=CC(NC=O)=C2O)[C@@H](C)OC1=O

InChI

InChIKey=LYDAGTPXPZARPR-GFRRLMGDSA-N
InChI=1S/C27H38N2O9/c1-5-7-8-9-12-19-24(38-21(31)11-6-2)17(4)37-27(35)22(16(3)36-26(19)34)29-25(33)18-13-10-14-20(23(18)32)28-15-30/h10,13-17,19,22,24,32H,5-9,11-12H2,1-4H3,(H,28,30)(H,29,33)/t16-,17+,19-,22+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H38N2O9
Molecular Weight 534.5986
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:29 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:29 GMT 2023
Record UNII
EP2UIE2658
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIMYCIN A2B
Common Name English
BUTANOIC ACID, (2R,3S,6S,7R,8R)-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
10075804
Created by admin on Sat Dec 16 09:13:29 GMT 2023 , Edited by admin on Sat Dec 16 09:13:29 GMT 2023
PRIMARY
CAS
117552-77-9
Created by admin on Sat Dec 16 09:13:29 GMT 2023 , Edited by admin on Sat Dec 16 09:13:29 GMT 2023
PRIMARY
FDA UNII
EP2UIE2658
Created by admin on Sat Dec 16 09:13:29 GMT 2023 , Edited by admin on Sat Dec 16 09:13:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID60151805
Created by admin on Sat Dec 16 09:13:29 GMT 2023 , Edited by admin on Sat Dec 16 09:13:29 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY